Chemical ID: 6673949

Cc1ccc(cc1)S(=O)(=O)OCCBr
Chemical ID:
6673949
Name [?]:
1-(2-bromoethoxysulfonyl)-4-methyl-benzene
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)OCCBr
InChi [?]:
InChI=1/C9H11BrO3S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,13,12,2,5,14,9,10,11,8/E:(2,3)(4,5)(11,12)/CRV:14.6/rA:14nCCCCCCCSOOOCCBr/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11BrO3S
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.37882
Area:387.65
Solvation:-2.31242
Coulombic:-8.70879
Bond Count [?]
All:14
Single:9
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:279.152
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.61
LogP (Chemaxon):2.81

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue